Molecule ID: mol3981

SMILES: CNc1nccnc1C(N)=O

InChI: InChI=1S/C6H8N4O/c1-8-6-4(5(7)11)9-2-3-10-6/h2-3H,1H3,(H2,7,11)(H,8,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.09 IUPAC digitized pKa 1 » 0
2.09 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization